On Tuesday 09 May 2006 16:59, Ezad Shojaee wrote: > from potinit : error # 1 > starting and expected charges differ
the starting charge (produced by a preceding self consistent calculation) is either bad or inconsistent with the data for the non-self-consistent calculation > ecutwfc =200.0, 200Ry for ultrasoft PP's? you have a lot of computer time to waste Paolo -- Paolo Giannozzi e-mail: giannozz at nest.sns.it Scuola Normale Superiore Phone: +39/050-509876, Fax:-563513 Piazza dei Cavalieri 7 I-56126 Pisa, Italy